2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane

C16H17ClN2O5S — CID 23047688

IUPAC2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane
SMILESCOC.NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChIInChI=1S/C14H11ClN2O4S.C2H6O/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14;1-3-2/h1-7,19H,(H,17,18)(H2,16,20,21);1-2H3
InChIKeyAXIWUDRCWCOGLF-UHFFFAOYSA-N
MW384.84 g/mol
LogP1.19
Rot. Bonds2

About 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane

2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane (PubChem CID 23047688) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane.

Molecular Properties

Compound Name2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane
PubChem CID23047688
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane
SMILESCOC.NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChIInChI=1S/C14H11ClN2O4S.C2H6O/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14;1-3-2/h1-7,19H,(H,17,18)(H2,16,20,21);1-2H3
InChIKeyAXIWUDRCWCOGLF-UHFFFAOYSA-N
XLogP1.19
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane?
The IUPAC name of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane (CID 23047688) is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane.
What is the SMILES notation for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane?
The canonical SMILES for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane is COC.NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane?
The InChIKey is AXIWUDRCWCOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S.C2H6O/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14;1-3-2/h1-7,19H,(H,17,18)(H2,16,20,21);1-2H3.
What are the key properties of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane?
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane has a molecular weight of 384.84 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane is sourced from PubChem (CID 23047688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).